Information card for entry 7202983

Structure parameters

• Formula: C29 H30 N2 O8
• Calculated formula: C29 H30 N2 O8
• SMILES: OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(C(=O)O)cc2ccccc12.O=CN(C)C.O=CN(C)C
• Title of publication: Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention
• Authors of publication: Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1011
• a: 16.32 ± 0.002 Å
• b: 23.887 ± 0.003 Å
• c: 14.326 ± 0.002 Å
• α: 90°
• β: 106.433 ± 0.002°
• γ: 90°
• Cell volume: 5356.7 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No